3-bromophenyl isothiocyanate

Modify Date: 2025-08-26 19:37:38

3-bromophenyl isothiocyanate Structure
3-bromophenyl isothiocyanate structure
Common Name 3-bromophenyl isothiocyanate
CAS Number 2131-59-1 Molecular Weight 214.08200
Density 1.5g/cm3 Boiling Point 256 °C
Molecular Formula C7H4BrNS Melting Point 26 °C
MSDS Chinese USA Flash Point >110°C
Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Danger

 Names

Name 1-bromo-3-isothiocyanatobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5g/cm3
Boiling Point 256 °C
Melting Point 26 °C
Molecular Formula C7H4BrNS
Molecular Weight 214.08200
Flash Point >110°C
Exact Mass 212.92500
PSA 44.45000
LogP 3.18340
Vapour Pressure 0.0253mmHg at 25°C
Index of Refraction 1.685

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8350000
CHEMICAL NAME :
Isothiocyanic acid, m-bromophenyl ester
CAS REGISTRY NUMBER :
2131-59-1
BEILSTEIN REFERENCE NO. :
2081173
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H4-Br-N-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01285

 Safety Information

Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Danger
Hazard Statements H302 + H312 + H332-H315-H319-H334-H335
Precautionary Statements P261-P280-P305 + P351 + P338-P342 + P311
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn: Harmful;C: Corrosive;
Risk Phrases R36/37/38
Safety Phrases S36/37/39-S26-S45-S36/37-S22
RIDADR 2810
RTECS NX8350000
Packaging Group III
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

~64%

3-bromophenyl isothiocyanate Structure

3-bromophenyl i...

CAS#:2131-59-1

Literature: Wong, Rince; Dolman, Sarah J. Journal of Organic Chemistry, 2007 , vol. 72, # 10 p. 3969 - 3971

~94%

3-bromophenyl isothiocyanate Structure

3-bromophenyl i...

CAS#:2131-59-1

Literature: Li, Zheng-Yi; Ma, Hong-Zhao; Han, Chen; Xi, Hai-Tao; Meng, Qi; Chen, Xin; Sun, Xiao-Qiang Synthesis (Germany), 2013 , vol. 45, # 12 art. no. SS-2013-F0228-OP, p. 1667 - 1674

~%

3-bromophenyl isothiocyanate Structure

3-bromophenyl i...

CAS#:2131-59-1

Literature: Journal of Organic Chemistry, , vol. 72, # 10 p. 3969 - 3971

~32%

3-bromophenyl isothiocyanate Structure

3-bromophenyl i...

CAS#:2131-59-1

Literature: Li, Zheng-Yi; Ma, Hong-Zhao; Han, Chen; Xi, Hai-Tao; Meng, Qi; Chen, Xin; Sun, Xiao-Qiang Synthesis (Germany), 2013 , vol. 45, # 12 art. no. SS-2013-F0228-OP, p. 1667 - 1674

~%

3-bromophenyl isothiocyanate Structure

3-bromophenyl i...

CAS#:2131-59-1

Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2>59, p. 589

~%

3-bromophenyl isothiocyanate Structure

3-bromophenyl i...

CAS#:2131-59-1

Literature: Bioorganic and Medicinal Chemistry, , vol. 17, # 8 p. 3177 - 3188

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Articles1

More Articles
Synthesis and evaluation of urea and thiourea derivatives of oxazolidinones as antibacterial agents.

Chem. Pharm. Bull. 55(2) , 236-40, (2007)

Urea and thiourea derivatives of oxazolidinones were synthesized and their inhibitory activity (MIC) was determined on the bacterial strains which includes clinical isolates and quality control organi...

 Synonyms

Isothiocyanic Acid 3-Bromophenyl Ester
Benzene,1-bromo-3-isothiocyanato
EINECS 210-753-9
3-Brom-phenylisothiocyanat
meta-bromophenyl isothiocyanate
MFCD00004803
1-bromo-3-isothiocyanato-benzene
3-BroMophenyl Isothiocyanate
3-bromobenzenisothiocyanate
ISOTHIOCYANIC ACID,m-BROMOPHENYL ESTER
m-Bromophenyl isothiocyanate
3-Brom-phenylsenfoel
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